SCHEMBL848652

SCHEMBL848652

CC(=O)c1ccc(C)nc1NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
NR2F2 P24468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SYK P43405 4/20 0.43
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
S1PR2 O95136 1/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
PPP1CA P62136 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM3 P20309 2/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL847497 0.97 SYK (0.45) KDM4ENR2F2NPSR1MAPTMAPK1
SCHEMBL847840 0.94 SYK (0.41) KDM4ENR2F2NPSR1MAPTMAPK1
SCHEMBL847489 0.87 OPRK1 (0.45) MAPK1SYKPDE4BOPRK1CNR2
SCHEMBL6644500 0.87 CHRM3 (0.44) KDM4ENR2F2NPSR1MAPTMAPK1
SCHEMBL849073 0.86 MAPK8 (0.49) SYKJAK2JAK3
SCHEMBL847586 0.83 MAPK8 (0.45) SYKCHRM3PDE4APDE4BPDE4C
SCHEMBL848330 0.83 MAPK8 (0.45) SYKCHRM3PDE4APDE4BPDE4C
SCHEMBL2100940 0.83 MAPK8 (0.45) SYKCHRM3PDE4APDE4BPDE4C
SCHEMBL846834 0.80 MAPK8 (0.41) SYKJAK2CNR1CNR2
SCHEMBL847031 0.80 BTK (0.39) SYKCHRM3PDE4APDE4BPDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 KDM4E 3326/4885NR2F2 106/4885NPSR1 1625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.